cyclohexyl-methyl-[(2R)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: cyclohexyl-methyl-[(2R)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-[(2R)-2-hydroxy-3-(3-nitrophenoxy)propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-(3-nitrophenoxy)propyl]-methylammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-(3-nitrophenoxy)propyl]-methylazanium Traditional Name: cyclohexyl-[(2R)-2-hydroxy-3-(3-nitrophenoxy)propyl]-methyl-ammonium Formula: C16H25N2O4+ MolecularWeight: 309.3807

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC(=C1)[N+](=O)[O-])O)C2CCCCC2

Isomeric SMILES

C[NH+](C[C@H](COC1=CC=CC(=C1)[N+](=O)[O-])O)C2CCCCC2

InChI

InChI=1S/C16H24N2O4/c1-17(13-6-3-2-4-7-13)11-15(19)12-22-16-9-5-8-14(10-16)18(20)21/h5,8-10,13,15,19H,2-4,6-7,11-12H2,1H3/p+1/t15-/m1/s1